SCHEMBL7229157

SCHEMBL7229157

COc1cc(OC)c2c(=O)cc(C(=O)Nc3ccc(CC4SC(=O)NC4=O)cc3)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
PPARG P37231 4/20 0.47
MAPT P10636 5/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MPC2 O95563 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTPN1 P18031 2/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ABCC1 P33527 2/20 0.42
TP53 P04637 2/20 0.41
ABCB1 P08183 2/20 0.41
FFAR1 O14842 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7228269 0.91 MAPT (0.47) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7223192 0.91 PPARG (0.47) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7228500 0.89 ABCB1 (0.46) PPARGMAPTACHEMPC2CYP2C8
SCHEMBL7221407 0.82 KMT2A (0.42) PPARGMAPTBCHEMPC2CYP2C8
SCHEMBL7221825 0.81 MAPT (0.47) MAPTMAOAPOLBTHRBTP53
SCHEMBL7228191 0.81 POLH (0.41) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7228016 0.81 POLH (0.45) PPARGMAPTACHEMAOAFFAR1
SCHEMBL7223493 0.81 MAPT (0.45) PPARGMAPTMAOAPOLBTP53
SCHEMBL7220586 0.80 POLH (0.59) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7237476 0.80 POLH (0.46) PPARGMAPTMPC2CYP2C8CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed